3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide

C9H6BrN3OS2 — CID 71870762

IUPAC3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1cc(Br)cs1)Nc1nncs1
InChIInChI=1S/C9H6BrN3OS2/c10-6-3-7(15-4-6)1-2-8(14)12-9-13-11-5-16-9/h1-5H,(H,12,13,14)
InChIKeyNTKPAVORMALNFO-UHFFFAOYSA-N
MW316.21 g/mol
LogP3.01
Rot. Bonds3

About 3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide

3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide (PubChem CID 71870762) has the molecular formula C9H6BrN3OS2 and a molecular weight of 316.21 g/mol. Its IUPAC name is 3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
PubChem CID71870762
Molecular FormulaC9H6BrN3OS2
Molecular Weight316.21 g/mol
Exact Mass314.91
IUPAC Name3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
SMILESO=C(C=Cc1cc(Br)cs1)Nc1nncs1
InChIInChI=1S/C9H6BrN3OS2/c10-6-3-7(15-4-6)1-2-8(14)12-9-13-11-5-16-9/h1-5H,(H,12,13,14)
InChIKeyNTKPAVORMALNFO-UHFFFAOYSA-N
XLogP3.01
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 887856
3-phenyl-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 732155
3-(4-methylphenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 4621052
(E)-3-(4-chlorophenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 6289125
(2E,4E)-N-(1,3,4-thiadiazol-2-yl)hexa-2,4-dienamide
CID 122358747
3-(4-bromothiophen-2-yl)-N-(2,3-difluorophenyl)prop-2-enamide
CID 68711741
3-(4-bromothiophen-2-yl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enamide
CID 76617068
3-(4-bromothiophen-2-yl)-N-propylsulfonylprop-2-enamide
CID 71987845
3-(4-bromothiophen-2-yl)-N-(4-hydroxycyclohexyl)prop-2-enamide
CID 111470029
(E)-3-(4-bromothiophen-2-yl)-N-(pyridin-2-ylmethyl)prop-2-enamide
CID 75407879
3-(4-bromothiophen-2-yl)-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 71983157
3-(4-bromothiophen-2-yl)-N-(2-cyanopropyl)prop-2-enamide
CID 71994781

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The IUPAC name of 3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide (CID 71870762) is 3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide.
What is the SMILES notation for 3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The canonical SMILES for 3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide is O=C(C=Cc1cc(Br)cs1)Nc1nncs1.
What is the InChIKey of 3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
The InChIKey is NTKPAVORMALNFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3OS2/c10-6-3-7(15-4-6)1-2-8(14)12-9-13-11-5-16-9/h1-5H,(H,12,13,14).
What are the key properties of 3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide?
3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide has a molecular weight of 316.21 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromothiophen-2-yl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide is sourced from PubChem (CID 71870762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).